REMARK  Name = BDB007016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.441   1.008  -1.462  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        4.740   0.639  -1.256  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        4.982  -0.606  -0.797  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        3.970  -1.501  -0.530  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        4.079  -2.910  -0.009  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1        2.615  -3.381  -0.163  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        1.791  -2.181  -0.393  0.00  0.00    -0.269 N 
ATOM      8  C   LIG    1        0.411  -2.292  -0.335  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.112  -3.409  -0.231  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1        5.028  -3.777  -0.839  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        4.503  -2.907   1.464  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.646  -1.114  -0.725  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        2.367   0.145  -1.220  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        3.154   2.395  -2.033  0.00  0.00    +0.290 C 
ATOM     15  F   LIG    1        1.866   2.798  -1.784  0.00  0.00    -0.199 F 
ATOM     16  F   LIG    1        3.252   2.394  -3.399  0.00  0.00    -0.199 F 
BRANCH  14  18
ATOM     17  C   LIG    1        3.948   3.736  -0.012  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        4.082   3.493  -1.508  0.00  0.00    +0.079 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  C   LIG    1       -0.429  -1.005  -0.364  0.00  0.00    +0.181 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.791  -1.184   0.187  0.00  0.00    -0.287 NA
ATOM     21  C   LIG    1       -2.660  -0.004  -0.094  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -2.397   1.159   0.897  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -2.558   0.798   2.316  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -3.533   0.530   2.456  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -1.720  -0.369   2.659  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -0.286   0.076   2.959  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -1.804  -1.531   1.625  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     28  C   LIG    1       -4.155  -0.470  -0.155  0.00  0.00    +0.104 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.220   0.446  -0.563  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1       -4.962   1.335  -1.693  0.00  0.00    +0.121 C 
ATOM     31  C   LIG    1       -6.020   2.433  -1.570  0.00  0.00    +0.181 C 
ATOM     32  F   LIG    1       -5.391   3.624  -1.355  0.00  0.00    -0.244 F 
ATOM     33  C   LIG    1       -6.823   2.083  -0.330  0.00  0.00    +0.053 C 
ATOM     34  C   LIG    1       -5.859   1.232   0.481  0.00  0.00    +0.087 C 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 6